1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

C14H20F9N3O6S3 — CID 87075176

IUPAC1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC(N2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H20F9N3O6S3/c15-11(16,12(17,18)33(27,28)24-34(29,30)14(21,22)23)13(19,20)35(31,32)26-8-4-10(5-9-26)25-6-2-1-3-7-25/h10,24H,1-9H2
InChIKeyUEUGZOIWGXSPCS-UHFFFAOYSA-N
MW593.51 g/mol
LogP1.86
Rot. Bonds8

About 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (PubChem CID 87075176) has the molecular formula C14H20F9N3O6S3 and a molecular weight of 593.51 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
PubChem CID87075176
Molecular FormulaC14H20F9N3O6S3
Molecular Weight593.51 g/mol
Exact Mass593.04
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC(N2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H20F9N3O6S3/c15-11(16,12(17,18)33(27,28)24-34(29,30)14(21,22)23)13(19,20)35(31,32)26-8-4-10(5-9-26)25-6-2-1-3-7-25/h10,24H,1-9H2
InChIKeyUEUGZOIWGXSPCS-UHFFFAOYSA-N
XLogP1.86
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (CID 87075176) is 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC(N2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The InChIKey is UEUGZOIWGXSPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F9N3O6S3/c15-11(16,12(17,18)33(27,28)24-34(29,30)14(21,22)23)13(19,20)35(31,32)26-8-4-10(5-9-26)25-6-2-1-3-7-25/h10,24H,1-9H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide has a molecular weight of 593.51 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 87075176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).